N-diphenylphosphinothioyl-2,6-dimethylaniline

C20H20NPS — CID 102343381

IUPACN-diphenylphosphinothioyl-2,6-dimethylaniline
SMILESCc1cccc(C)c1NP(=S)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H20NPS/c1-16-10-9-11-17(2)20(16)21-22(23,18-12-5-3-6-13-18)19-14-7-4-8-15-19/h3-15H,1-2H3,(H,21,23)
InChIKeyRKHZFYMZQVENGA-UHFFFAOYSA-N
MW337.43 g/mol
LogP4.76
Rot. Bonds4

About N-diphenylphosphinothioyl-2,6-dimethylaniline

N-diphenylphosphinothioyl-2,6-dimethylaniline (PubChem CID 102343381) has the molecular formula C20H20NPS and a molecular weight of 337.43 g/mol. Its IUPAC name is N-diphenylphosphinothioyl-2,6-dimethylaniline.

Molecular Properties

Compound NameN-diphenylphosphinothioyl-2,6-dimethylaniline
PubChem CID102343381
Molecular FormulaC20H20NPS
Molecular Weight337.43 g/mol
Exact Mass337.11
IUPAC NameN-diphenylphosphinothioyl-2,6-dimethylaniline
SMILESCc1cccc(C)c1NP(=S)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H20NPS/c1-16-10-9-11-17(2)20(16)21-22(23,18-12-5-3-6-13-18)19-14-7-4-8-15-19/h3-15H,1-2H3,(H,21,23)
InChIKeyRKHZFYMZQVENGA-UHFFFAOYSA-N
XLogP4.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-diphenylphosphinothioyl-2,6-dimethylaniline?
The IUPAC name of N-diphenylphosphinothioyl-2,6-dimethylaniline (CID 102343381) is N-diphenylphosphinothioyl-2,6-dimethylaniline.
What is the SMILES notation for N-diphenylphosphinothioyl-2,6-dimethylaniline?
The canonical SMILES for N-diphenylphosphinothioyl-2,6-dimethylaniline is Cc1cccc(C)c1NP(=S)(c1ccccc1)c1ccccc1.
What is the InChIKey of N-diphenylphosphinothioyl-2,6-dimethylaniline?
The InChIKey is RKHZFYMZQVENGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20NPS/c1-16-10-9-11-17(2)20(16)21-22(23,18-12-5-3-6-13-18)19-14-7-4-8-15-19/h3-15H,1-2H3,(H,21,23).
What are the key properties of N-diphenylphosphinothioyl-2,6-dimethylaniline?
N-diphenylphosphinothioyl-2,6-dimethylaniline has a molecular weight of 337.43 g/mol, XLogP of 4.76, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-diphenylphosphinothioyl-2,6-dimethylaniline is sourced from PubChem (CID 102343381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).